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. 2012 Apr 26;13(2):611–622. doi: 10.1208/s12249-012-9782-7

Table IV.

PLS Regression of MSC, SNV, and Savitzky–Golay Second Derivative-Transformed NIR Spectra for Calibration and Prediction of Letrozole and PLGA

MSC SNV Savitzky–Golay
Calibration Prediction Calibration Prediction Calibration Prediction
Samples 36 36 36 36 36 36
Slope 0.963228 0.85399 0.963367 0.853988 0.982424 0.946380
Offset 0.387639 1.793364 0.386178 1.793643 0.184968 1.031883
Correlation 0.981442 0.949768 0.981512 0.949710 0.991188 0.991141
RMSE 1.082594 1.404363 1.080552 1.405067 0.747825 0.786413
SEC/SEP 1.097950 1.357095 1.095880 1.357768 0.758433 0.589398
Bias 2.649e-08 0.426249 5.298e-08 0.426484 1.060e-07 0.529817

Second derivative transformation showed lower RMSE, SEC, SEP, and a higher correlation coefficient than MSC and SNV-treated spectra